Match comparison for Force 1 (y) (match type 31099)
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.923577940000000e-15 | 3.830000000000000e-15 | -7.808089218529412e-16 | 1.862910006774653e-15 | -1.327361615000000e-15 | 2.969196065000000e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00000000000000192357794, precision: 0.00000000000000383| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.082223500000000e-15 | 8.413544399999999e-16 | 2.196747885117493e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.185656390000000e-15 | 3.109234330000000e-15 | 8.118105300261097e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.135390390000000e-15 | -2.118124500000001e-16 | -5.530351174934729e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.650453860000000e-15 | 2.731240800000000e-16 | 7.131177023498696e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.139225430000000e-15 | 7.843525100000000e-16 | 2.047917780678851e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.641834450000000e-15 | 3.565412390000000e-15 | 9.309170731070495e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -7.217262810000000e-16 | 1.201851659000000e-15 | 3.137993887728459e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.572960510000000e-15 | 3.506174300000000e-16 | 9.154502088772846e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.902232710000000e-15 | 2.134522999999991e-17 | 5.573167101827653e-03 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.296557680000000e-15 | -2.372979740000000e-15 | -6.195769556135771e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.100005060000000e-16 | 2.233578446000000e-15 | 5.831797509138381e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.561861310000000e-15 | -6.382833700000000e-16 | -1.666536214099217e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 8.293604520000000e-16 | 2.752938392000000e-15 | 7.187828699738903e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.019136810000000e-15 | -9.555887000000012e-17 | -2.495009660574415e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.767927170000000e-15 | 1.556507699999999e-16 | 4.063988772845951e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.384417750000000e-15 | 5.391601900000000e-16 | 1.407728955613577e-01 | PASS |